CID 13377309

3-(2-methylpropyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)CC1=NOC(=C1)N
InChI
InChI=1S/C7H12N2O/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3
InChIKey
DZDIGBUGYPBFNY-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

140.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.7
[M+Na]+ 163.08418 137.7
[M-H]- 139.08768 132.4
[M+NH4]+ 158.12878 150.2
[M+K]+ 179.05812 137.8
[M+H-H2O]+ 123.09222 123.5
[M+HCOO]- 185.09316 153.0
[M+CH3COO]- 199.10881 176.0
[M+Na-2H]- 161.06963 134.8
[M]+ 140.09441 130.0
[M]- 140.09551 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe